Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHSSWHDLIKRELPNHYYNKINTFMDAVYESG-IVYPPRDKVFNAIQITPLENVKVVIIGQDPYHGPQQAQGLSFSVPDNLPAPPSLQNILKELAEDIGSRS---HHDLTSWAQQGVLLLNACLTVPEHQANGHAGLIWEPFTDAVIKVVNQKETPVVFILWGGYARKKKSLIDNPIHHIIESPHPSPLSAYRGFFGSRPFSRTNHFLEEEGINEIDWLN
2JHQ Chain:A ((6-220))
----TWHDVIGNEKQQAYFQQTLQFVESQRQAGKVIYPPAKDVFNAFRFTEFGDVKVVILGQDPYHGPNQAHGLCFSVLPGVKTPPSLVNIYKELAQDIPGFQIPPHGYLQSWAQQGVLLLNTVLTVEQGMAHSHANTGWETFTDRVIDALNQHRNGLIFLLWGSHAQKKGQMIDRQRHHVLMAPHPSPLSAHRGFLGCRHFSKTNQLLQAQGIAPINWQP
General information:
TITO was launched using:
RESULT:
Template:
2JHQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115927 for 1709 contacts (-67.8/contact) +
2D Compatibility (PS) -22261 + (NN) -9553 + (LL) 288
1D Compatibility (HY) -21200 + (ID) 5450
Total energy: -174103.0 ( -101.87 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_2JHQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JHQ-query.scw
PDB file :
Tito_Scwrl_2JHQ.pdb
: